9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-(2h-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CED0191015)

Record Information

Version

1.0

Creation Date

2026-08-21 18:29:23 UTC

Update Date

2026-08-21 18:29:23 UTC

SynCED ID

CED0191015

Secondary Accession Numbers

CHEM203250

Identification

Common Name

9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-(2h-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

Class

Small Molecule

Description

9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-(2h-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This compound has the chemical formula C21H20N6O4 and an average molecular weight of 420.40 g/mol. It is classified within the superclass of organic oxygen compounds. The substance has been identified in or released from two recorded sources, specifically electrical and electronic equipment such as antennas and amplifiers.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₁H₂₀N₆O₄

Average Molecular Mass

420.400 g/mol

Monoisotopic Mass

420.155 g/mol

CAS Registry Number

108427-72-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C21H20N6O4/c1-3-5-15-17(8-7-14(12(2)28)18(15)29)31-11-13-6-4-9-27-20(13)22-10-16(21(27)30)19-23-25-26-24-19/h4,6-10,29H,3,5,11H2,1-2H3,(H,23,24,25,26)

InChI Key

RVRGDCZGEKSIRW-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0a6u-3349200000-fff9c87db015018eda1f	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0030900000-8f7b912e50cacfb1ed33	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0097700000-73aff0398c1eeb789954	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dl-1139000000-32edd40102a3a6ff0626	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-1200900000-3faa34aee35f0c65a925	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-02tc-1397600000-1aab75ff7af943bd6def	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-02t9-8694100000-b17a7c0964e0ed1a18dd	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2432.0 Log mg/kg [1400:4300]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000505	Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.	Electrical & Electronic Equipment	PubChem
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Cysteinyl leukotriene receptor 1	Q9Y271	Humans	Predicted (SEA)	Prediction Confidence Score 0.342 Applicability Domain 0.518 Statistical Significance 8.10e-04 Supporting Reference Compounds 26 E-value 6.30579
Click to view 3D structure	Type-1 angiotensin II receptor	P34976	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.297 Low confidence Statistical Significance 0.0037 Supporting Reference Compounds 28 E-value 28.7264
Click to view 3D structure	Type-1 angiotensin II receptor	P25104	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.297 Low confidence Statistical Significance 0.0032 Supporting Reference Compounds 16 E-value 24.7561
Click to view 3D structure	Type-1 angiotensin II receptor B	P29089	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.29 Low confidence Statistical Significance 0.0087 Supporting Reference Compounds 29 E-value 68.0402
Click to view 3D structure	Type-2 angiotensin II receptor	P35351	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.297 Low confidence Statistical Significance 0.0045 Supporting Reference Compounds 27 E-value 34.7986
Click to view 3D structure	Type-1 angiotensin II receptor	P30556	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.297 Low confidence Statistical Significance 0.0279 Supporting Reference Compounds 141 E-value 216.888
Click to view 3D structure	Angiotensinogen	P01015	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.284 Low confidence Statistical Significance 0.0021 Supporting Reference Compounds 4 E-value 16.7376
Click to view 3D structure	Metabotropic glutamate receptor 2	Q14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.518 Statistical Significance 0.0072 Supporting Reference Compounds 85 E-value 56.4407
Click to view 3D structure	Type-1 angiotensin II receptor A	P25095	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.293 Low confidence Statistical Significance 0.0205 Supporting Reference Compounds 24 E-value 159.591
Click to view 3D structure	Type-2 angiotensin II receptor	P50052	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.297 Low confidence Statistical Significance 0.0327 Supporting Reference Compounds 36 E-value 254.801
Click to view 3D structure	cGMP-specific 3',5'-cyclic phosphodiesterase	O76074	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.337 Statistical Significance 0.1057 Supporting Reference Compounds 183 E-value 823.255
Click to view 3D structure	Thromboxane-A synthase	P24557	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.337 Statistical Significance 0.0323 Supporting Reference Compounds 66 E-value 251.764
Click to view 3D structure	Class I phosphodiesterase PDEB1	Q6S996	Leishmania major	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.231 Low confidence Statistical Significance 0.0042 Supporting Reference Compounds 1 E-value 32.7745
Click to view 3D structure	Group IIC secretory phospholipase A2	P48076	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.226 Low confidence Statistical Significance 0.0037 Supporting Reference Compounds 1 E-value 28.8042
Click to view 3D structure	Cysteinyl leukotriene receptor 1	Q2NNR5	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.337 Statistical Significance 0.0243 Supporting Reference Compounds 24 E-value 189.096
Click to view 3D structure	Growth hormone secretagogue receptor type 1	Q95254	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.224 Low confidence Statistical Significance 0.008 Supporting Reference Compounds 1 E-value 62.5908
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.278 Low confidence Statistical Significance 0.8116 Supporting Reference Compounds 1245 E-value 6318.63
Click to view 3D structure	Phosphodiesterase	Q53I60	Trypanosoma cruzi	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.215 Low confidence Statistical Significance 0.0045 Supporting Reference Compounds 1 E-value 34.8764
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.267 Low confidence Statistical Significance 0.7955 Supporting Reference Compounds 825 E-value 6192.67
Click to view 3D structure	Sphingosine 1-phosphate receptor 1	P21453	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.24 Low confidence Statistical Significance 0.2725 Supporting Reference Compounds 126 E-value 2121.31
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.221 Low confidence Statistical Significance 0.63 Supporting Reference Compounds 553 E-value 4904.19
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.278 Low confidence Statistical Significance 0.1543 Supporting Reference Compounds 108 E-value 1201.52
Click to view 3D structure	Sphingosine 1-phosphate receptor 3	Q99500	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.24 Low confidence Statistical Significance 0.1541 Supporting Reference Compounds 59 E-value 1199.35
Click to view 3D structure	Cytochrome b	P24964	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.211 Low confidence Statistical Significance 0.0098 Supporting Reference Compounds 1 E-value 76.6036
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.226 Low confidence Statistical Significance 0.9059 Supporting Reference Compounds 1498 E-value 7052.67